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	hartrees
Energy at 0K	-343.149722
Energy at 298.15K	-343.152694
HF Energy	-343.149722
Nuclear repulsion energy	17.284440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2314	2314	44.48	263.96	0.01	0.02
2	A₁	984	984	14.84	1.67	0.07	0.12
3	E	2332	2332	67.25	108.48	0.75	0.86
3	E	2332	2332	67.26	108.39	0.75	0.86
4	E	1093	1093	8.54	7.02	0.75	0.86
4	E	1093	1093	8.54	7.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.132
H2	0.000	1.205	-0.658
H3	1.044	-0.603	-0.658
H4	-1.044	-0.603	-0.658

	P1	H2	H3	H4
P1		1.4411	1.4411	1.4411
H2	1.4411		2.0876	2.0876
H3	1.4411	2.0876		2.0876
H4	1.4411	2.0876	2.0876

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	92.821		H2	P1	H4	92.821
H3	P1	H4	92.821

All results from a given calculation for PH₃ (Phosphine)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	P	-0.730
2	H	0.243
3	H	0.243
4	H	0.243

	x	y	z	Total
	0.000	0.000	-0.597	0.597
CHELPG
AIM
ESP

<r²>	15.634
(<r²>)^1/2	3.954

All results from a given calculation for PH3 (Phosphine)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for PH₃ (Phosphine)